CHEBI:61999 - glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8−)

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ChEBI Name glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8−)
ChEBI ID CHEBI:61999
ChEBI ASCII Name glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8-)
Definition A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
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Formula C137H241N2O65P3
Net Charge -8
Average Mass 3049.281
Monoisotopic Mass 3047.48711
InChI InChI=1S/C137H249N2O65P3/c1-7-13-19-25-31-37-38-44-50-56-62-68-100(156)187-86(66-60-54-48-42-35-29-23-17-11-5)72-102(158)192-124-104(139-98(154)71-85(65-59-53-47-41-34-28-22-16-10-4)186-99(155)67-61-55-49-43-36-30-24-18-12-6)128(184-81-95-107(161)123(191-101(157)70-84(146)64-58-52-46-40-33-27-21-15-9-3)103(129(189-95)204-207(180,181)182)138-97(153)69-83(145)63-57-51-45-39-32-26-20-14-8-2)190-96(122(124)202-205(174,175)176)82-185-136(134(170)171)74-93(199-137(135(172)173)73-87(147)105(159)118(200-137)89(149)76-141)121(120(201-136)91(151)78-143)196-133-115(169)126(127(203-206(177,178)179)119(195-133)90(150)77-142)198-132-114(168)125(197-131-112(166)108(162)106(160)94(79-144)188-131)113(167)117(194-132)92(152)80-183-130-111(165)109(163)110(164)116(193-130)88(148)75-140/h83-96,103-133,140-152,159-169H,7-82H2,1-6H3,(H,138,153)(H,139,154)(H,170,171)(H,172,173)(H2,174,175,176)(H2,177,178,179)(H2,180,181,182)/p-8/t83-,84-,85-,86-,87-,88+,89-,90+,91-,92+,93-,94-,95-,96-,103-,104-,105-,106-,107-,108+,109+,110+,111+,112-,113-,114+,115+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,130+,131-,132-,133-,136-,137-/m1/s1
InChIKey QHKUHEQURQLSFA-WAOODQFWSA-F
SMILES [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)[C@H](CO)O)O)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@H](O[C@@H]([C@H]4OP(=O)([O-])[O-])[C@H](CO)O)O[C@@H]5[C@@H](C[C@](O[C@@]5([C@@H](CO)O)[H])(OC[C@@H]6[C@@H](OP(=O)([O-])[O-])[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)O6)C([O-])=O)O[C@]8(C([O-])=O)C[C@@H](O)[C@H]([C@](O8)([C@H](O)CO)[H])O)O
ChEBI Ontology
Outgoing glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8−) (CHEBI:61999) is a lipid A oxoanion (CHEBI:60086)
glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8−) (CHEBI:61999) is conjugate base of glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A (CHEBI:62203)
Incoming glucosyl-(heptosyl)2-4-phosphoheptosyl-(KDO)2-lipid A (CHEBI:62203) is conjugate acid of glucosyl-(heptosyl)2-4-phosphonatoheptosyl-(KDO)2-lipid A(8−) (CHEBI:61999)
Synonyms Sources
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(1→3)-4-O-PO32−-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-lipid A UniProt
glucosyl-heptosyl3-KDO2-lipid A-phosphate(8−) ChEBI
Manual Xref Database
CPD0-934 MetaCyc
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Last Modified
27 October 2017